Chlorine in PDB 5t6k: Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with GW780159X

The structure of Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with GW780159X, PDB code: 5t6k was solved by D.Q.Jiang, W.Tempel, J.R.Walker, M.El Bakkouri, P.Loppnau, S.Graslund, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, D.V.Lovato, K.T.Osman, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.64 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.960, 72.456, 65.671, 90.00, 98.22, 90.00
R / Rfree (%)	20.6 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with GW780159X (pdb code 5t6k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with GW780159X, PDB code: 5t6k:

Chlorine binding site 1 out of 1 in the Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with GW780159X


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with GW780159X within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:66.7 occ:1.00 CL A:5G9601 0.0 66.7 1.0 C11 A:5G9601 1.7 63.7 1.0 C10 A:5G9601 2.7 64.8 1.0 C12 A:5G9601 2.7 62.4 1.0 O A:HOH720 3.6 50.5 1.0 CB A:LEU126 3.7 53.0 1.0 CD1 A:LEU126 3.8 59.5 1.0 C13 A:5G9601 4.0 64.1 1.0 C9 A:5G9601 4.0 67.0 1.0 OD1 A:ASP195 4.1 63.4 1.0 CG A:LEU126 4.2 59.1 1.0 CD1 A:LEU114 4.3 66.5 1.0 CG A:LEU114 4.4 65.3 1.0 CD2 A:LEU126 4.4 63.6 1.0 CE A:LYS80 4.5 53.1 1.0 C14 A:5G9601 4.5 66.6 1.0 CD2 A:LEU114 4.6 69.2 1.0 SD A:MET112 4.8 64.2 1.0 CB A:LYS80 4.9 63.1 1.0 CE A:MET112 5.0 62.4 1.0 CA A:LEU126 5.0 53.5 1.0

D.Q.Jiang, W.Tempel, J.R.Walker, M.El Bakkouri, P.Loppnau, S.Graslund, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, D.V.Lovato, K.T.Osman. Crystal Structure of CDPK1 From Toxoplasma Gondii Complexed with Sgc-1-19 To Be Published.